[Wien] reg: DOS at fermi level

[Gerhard Fecher]

What  is the meaning of total density of states (e.g. in the primitive cell) ?
What is the meaning of some density of states in several spheres of arbitrary size ?

If you are able to answer the questions then you should have no doubts anymore.

By the way, if you did not ask the program to calculate the density of states in arbitray spheres it never had answered the question.

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "bobli rekharam [swetarekharam at gmail.com]
Gesendet: Sonntag, 13. November 2011 13:34
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] reg: DOS at fermi level

>
>  I have a small doubt on DOS at Fermi level. I want the value of N(E_F) for my compound.
> According to my idea, we will get this value form  case.dos1ev file.
> But the total DOS in this file is DOS due to the atoms and also due to interstitial region.
> So how can I  get the DOS value on the Fermi level only due  to atoms not from the interstitial region.
> So to subtract the contribution of DOS due to interstitial region from the total DOS, What I have to do?

Actually what I understood that I am writing here

      Here I am writing more details of my doubt.

My system is AB3 type and it is a superconductor.

A has mutiplicity one and
B has a multiplicity 3
So from the total DOS I am getting N(E_F) values = 2.41 states/eV
 If I am adding the values of total A and total B, I am getting value
1.59 states/eV

So the total atomic DOS is vary less than the total DOS.  And here I
conclude that nearly 0.8 states/eV was due to interstitial.
But when I will plot the total DOS graph, it will show the DOS value
2.41 states/eV.
SO if I want to report the DOS value which value should I  write?
If I will calculate the Sommerfeld coefficient (γ mJ/(mol  K**2)),
which DOS value should I consider ??
 Here I am confused.



>
> Can any one please tell me this ??????
>
>
> --
> Swetarekha Ram,
> Research Scholar,



--
Swetarekha Ram,
Research Scholar,
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